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Chemical structure of ACTH 1-17 (α1-17-ACTH)

GC31109

ACTH 1-17 (α1-17-ACTH)

Also known as (4S)-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-6-amino-1-[(2S)-2-[[(2S)-1-[[2-[[(2S)-6-amino-1-[[(2S)-6-amino-1-[[(1S)-4-carbamimidamido-1-carboxybutyl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylsulfanylbutanoyl]amino]-5-oxopentanoic acid

ACTH 1-17 (α1-17-ACTH), an adrenocorticotropin analogue, is a potent human melanocortin 1 (MC1) receptor agonist with a Ki of 0·21 nM

ChemicalCAS7266-47-9MW2093.41FormulaC95H145N29O23S
CAS number
7266-47-9
Molecular weight
2093.41
Formula
C95H145N29O23S
Solubility
Soluble in Water
InChIKey
MXNMAFWEFLFAJN-QBQLSIIBSA-N
Catalogue number
GC31109
Brand
GLPBIO
Computed properties PubChem CID 131675230 · XLogP -8.9 · TPSA 890 Ų · H-bond donors 32
XLogP
-8.9
TPSA
890 Ų
H-bond donors
32
H-bond acceptors
31
Rotatable bonds
71
Heavy atoms
148

SMILES CC(C)[C@@H](C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC4=CC=CC=C4)NC(=O)[C@H](CC5=CN=CN5)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CO)NC(=O)[C@H](CC6=CC=C(C=C6)O)NC(=O)[C@H](CO)N

Computed descriptors from PubChem (CID 131675230), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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